CID 497685

(3a-hydro-1,2,4-triazolo[3,4-b]benzothiazol-3-ylsulfonyl)-2-pyridylamine

Structural Information

Molecular Formula
C13H9N5O2S2
SMILES
C1=CC=C2C(=C1)N3C(=NN=C3S(=O)(=O)NC4=CC=CC=N4)S2
InChI
InChI=1S/C13H9N5O2S2/c19-22(20,17-11-7-3-4-8-14-11)13-16-15-12-18(13)9-5-1-2-6-10(9)21-12/h1-8H,(H,14,17)
InChIKey
RANPJCRLIOSEOG-UHFFFAOYSA-N
Compound name
N-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.01978 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.02706 171.1
[M+Na]+ 354.00900 186.2
[M-H]- 330.01250 177.1
[M+NH4]+ 349.05360 186.6
[M+K]+ 369.98294 180.0
[M+H-H2O]+ 314.01704 165.5
[M+HCOO]- 376.01798 185.4
[M+CH3COO]- 390.03363 183.6
[M+Na-2H]- 351.99445 177.6
[M]+ 331.01923 179.0
[M]- 331.02033 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.